(1E,5E)-1-phenylselanylhepta-1,5-dien-4-ol

C13H16OSe — CID 134905883

IUPAC(1E,5E)-1-phenylselanylhepta-1,5-dien-4-ol
SMILESC/C=C/C(O)C/C=C/[Se]c1ccccc1
InChIInChI=1S/C13H16OSe/c1-2-7-12(14)8-6-11-15-13-9-4-3-5-10-13/h2-7,9-12,14H,8H2,1H3/b7-2+,11-6+
InChIKeyVDVDKCRHWZOUKG-UDJJJKJKSA-N
MW267.23 g/mol
LogP1.86
Rot. Bonds5

About (1E,5E)-1-phenylselanylhepta-1,5-dien-4-ol

(1E,5E)-1-phenylselanylhepta-1,5-dien-4-ol (PubChem CID 134905883) has the molecular formula C13H16OSe and a molecular weight of 267.23 g/mol. Its IUPAC name is (1E,5E)-1-phenylselanylhepta-1,5-dien-4-ol.

Molecular Properties

Compound Name(1E,5E)-1-phenylselanylhepta-1,5-dien-4-ol
PubChem CID134905883
Molecular FormulaC13H16OSe
Molecular Weight267.23 g/mol
Exact Mass268.04
IUPAC Name(1E,5E)-1-phenylselanylhepta-1,5-dien-4-ol
SMILESC/C=C/C(O)C/C=C/[Se]c1ccccc1
InChIInChI=1S/C13H16OSe/c1-2-7-12(14)8-6-11-15-13-9-4-3-5-10-13/h2-7,9-12,14H,8H2,1H3/b7-2+,11-6+
InChIKeyVDVDKCRHWZOUKG-UDJJJKJKSA-N
XLogP1.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1E,5E)-1-phenylselanylhepta-1,5-dien-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Phenylselanylpropan-2-ol
CID 11183499
(E)-2-methyl-1-phenylpent-1-en-3-ol
CID 13465033
(4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol
CID 16758963
Hydroxypropyl phenyl selenide
CID 10656305
(E)-2-Methyl-1-phenyl-1,5-hexadien-3-ol
CID 11159780
2-(Phenylselanyl)cyclohexan-1-ol
CID 12531121
2-Methyl-7-phenylhepta-1,4,6-trien-3-ol
CID 49859085
3-[Dimethyl(phenyl)silyl]but-3-en-2-ol
CID 10035913
(1E,3R,4S)-4-methyl-1-phenylhexa-1,5-dien-3-ol
CID 10921292
(Z)-2,3-bis(phenylselanyl)prop-2-en-1-ol
CID 11187760
(1E,3R,4R)-4-methyl-1-phenylhexa-1,5-dien-3-ol
CID 11469530
2-Octanol, 1-(phenylseleno)-
CID 11832994

Frequently Asked Questions

What is the IUPAC name of (1E,5E)-1-phenylselanylhepta-1,5-dien-4-ol?
The IUPAC name of (1E,5E)-1-phenylselanylhepta-1,5-dien-4-ol (CID 134905883) is (1E,5E)-1-phenylselanylhepta-1,5-dien-4-ol.
What is the SMILES notation for (1E,5E)-1-phenylselanylhepta-1,5-dien-4-ol?
The canonical SMILES for (1E,5E)-1-phenylselanylhepta-1,5-dien-4-ol is C/C=C/C(O)C/C=C/[Se]c1ccccc1.
What is the InChIKey of (1E,5E)-1-phenylselanylhepta-1,5-dien-4-ol?
The InChIKey is VDVDKCRHWZOUKG-UDJJJKJKSA-N. The full InChI is InChI=1S/C13H16OSe/c1-2-7-12(14)8-6-11-15-13-9-4-3-5-10-13/h2-7,9-12,14H,8H2,1H3/b7-2+,11-6+.
What are the key properties of (1E,5E)-1-phenylselanylhepta-1,5-dien-4-ol?
(1E,5E)-1-phenylselanylhepta-1,5-dien-4-ol has a molecular weight of 267.23 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5E)-1-phenylselanylhepta-1,5-dien-4-ol is sourced from PubChem (CID 134905883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).